2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide

C16H25N3O2 — CID 60945791

IUPAC2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
SMILESCCN(CCO)c1ccc(NC(=O)C(C)(N)C2CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-3-19(10-11-20)14-8-6-13(7-9-14)18-15(21)16(2,17)12-4-5-12/h6-9,12,20H,3-5,10-11,17H2,1-2H3,(H,18,21)
InChIKeyQADCVVKCZJGJKC-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.57
Rot. Bonds7

About 2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide

2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide (PubChem CID 60945791) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
PubChem CID60945791
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
SMILESCCN(CCO)c1ccc(NC(=O)C(C)(N)C2CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-3-19(10-11-20)14-8-6-13(7-9-14)18-15(21)16(2,17)12-4-5-12/h6-9,12,20H,3-5,10-11,17H2,1-2H3,(H,18,21)
InChIKeyQADCVVKCZJGJKC-UHFFFAOYSA-N
XLogP1.57
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide
CID 115426342
2-amino-2-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 61237343
N-(4-acetamidophenyl)-2-amino-2-cyclopropylpropanamide
CID 60866095
N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 61252070
3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide
CID 65265051
tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate
CID 65143042
2-amino-2-cyclopropyl-N-(4-propan-2-ylphenyl)propanamide
CID 60866090
2-amino-2-cyclopropyl-N-(4-methoxyphenyl)propanamide
CID 54925277
2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 60867551
3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945915
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide
CID 63005975
(2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 61178516

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide (CID 60945791) is 2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide is CCN(CCO)c1ccc(NC(=O)C(C)(N)C2CC2)cc1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide?
The InChIKey is QADCVVKCZJGJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-19(10-11-20)14-8-6-13(7-9-14)18-15(21)16(2,17)12-4-5-12/h6-9,12,20H,3-5,10-11,17H2,1-2H3,(H,18,21).
What are the key properties of 2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide?
2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide is sourced from PubChem (CID 60945791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).